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(2S)-1,2-bis(3,4-dimethoxyphenyl)-3-methyl-1-butanone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2S)-1,2-bis(3,4-dimethoxyphenyl)-3-methyl-1-butanone
SpectraBase Compound ID 7fZa08mr6lJ
InChI InChI=1S/C21H26O5/c1-13(2)20(14-7-9-16(23-3)18(11-14)25-5)21(22)15-8-10-17(24-4)19(12-15)26-6/h7-13,20H,1-6H3/t20-/m0/s1
InChIKey KYBMXDQCEZQLOY-FQEVSTJZSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gyxd2lANCA5
Name (2S)-1,2-bis(3,4-Dimethoxyphenyl)-3-methyl-1-butanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.178023932 u
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-13(2)20(14-7-9-16(23-3)18(11-14)25-5)21(22)15-8-10-17(24-4)19(12-15)26-6/h7-13,20H,1-6H3/t20-/m0/s1
InChIKey KYBMXDQCEZQLOY-FQEVSTJZSA-N
Molecular Weight 358.434 g/mol
SMILES C1([C@@](C(C=2C=C(OC)C(=CC2)OC)=O)(C(C)C)[H])=CC(OC)=C(C=C1)OC